2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid

C14H18ClNO2 — CID 65055047

IUPAC2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(c1ccc(Cl)cc1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H18ClNO2/c1-10(12-4-6-13(15)7-5-12)16(9-14(17)18)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyLSAPOGROCOEVAR-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.20
Rot. Bonds6

About 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid

2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 65055047) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID65055047
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(c1ccc(Cl)cc1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H18ClNO2/c1-10(12-4-6-13(15)7-5-12)16(9-14(17)18)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyLSAPOGROCOEVAR-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65055145
2-[1-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054651
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[1-(5-bromothiophen-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054657
2-[cyclopropylmethyl-[1-(3-methylthiophen-2-yl)ethyl]amino]acetic acid
CID 65054956
N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide
CID 86876459
2-[carboxymethyl-[1-(4-chlorophenyl)propyl]amino]acetic acid
CID 65065919
2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055146
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618079
2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid
CID 103466165

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid (CID 65055047) is 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid is CC(c1ccc(Cl)cc1)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is LSAPOGROCOEVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(12-4-6-13(15)7-5-12)16(9-14(17)18)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid?
2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 267.76 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 65055047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).